CID 7420449

2-(1,3-benzothiazol-2-ylthio)n'-(1-(3,4-dichlorophenyl)ethylidene)acetohydrazide

Structural Information

Molecular Formula
C17H13Cl2N3OS2
SMILES
C/C(=N\NC(=O)CSC1=NC2=CC=CC=C2S1)/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H13Cl2N3OS2/c1-10(11-6-7-12(18)13(19)8-11)21-22-16(23)9-24-17-20-14-4-2-3-5-15(14)25-17/h2-8H,9H2,1H3,(H,22,23)/b21-10+
InChIKey
BCVLZWFOSZEDNP-UFFVCSGVSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.9877 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.99498 188.7
[M+Na]+ 431.97692 199.1
[M-H]- 407.98042 196.4
[M+NH4]+ 427.02152 203.7
[M+K]+ 447.95086 191.0
[M+H-H2O]+ 391.98496 183.1
[M+HCOO]- 453.98590 194.8
[M+CH3COO]- 468.00155 199.0
[M+Na-2H]- 429.96237 189.2
[M]+ 408.98715 197.4
[M]- 408.98825 197.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.